2-({4-ethyl-5-[(5-phenyl-2H-tetrazol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(morpholin-4-yl)ethan-1-one
Chemical Structure Depiction of
2-({4-ethyl-5-[(5-phenyl-2H-tetrazol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(morpholin-4-yl)ethan-1-one
2-({4-ethyl-5-[(5-phenyl-2H-tetrazol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(morpholin-4-yl)ethan-1-one
Compound characteristics
| Compound ID: | 8016-2631 |
| Compound Name: | 2-({4-ethyl-5-[(5-phenyl-2H-tetrazol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(morpholin-4-yl)ethan-1-one |
| Molecular Weight: | 414.49 |
| Molecular Formula: | C18 H22 N8 O2 S |
| Smiles: | CCn1c(Cn2nc(c3ccccc3)nn2)nnc1SCC(N1CCOCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9224 |
| logD: | 0.91 |
| logSw: | -1.8761 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 87.618 |
| InChI Key: | KKYUNPKPDOBZJC-UHFFFAOYSA-N |